(E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide

C21H21N3O — CID 78813722

IUPAC(E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(C)C(NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-15(2)21(16-8-4-3-5-9-16)24-20(25)13-12-17-14-22-18-10-6-7-11-19(18)23-17/h3-15,21H,1-2H3,(H,24,25)/b13-12+
InChIKeyNEGQYNMSAVNQMK-OUKQBFOZSA-N
MW331.42 g/mol
LogP4.16
Rot. Bonds5

About (E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 78813722) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID78813722
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(C)C(NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-15(2)21(16-8-4-3-5-9-16)24-20(25)13-12-17-14-22-18-10-6-7-11-19(18)23-17/h3-15,21H,1-2H3,(H,24,25)/b13-12+
InChIKeyNEGQYNMSAVNQMK-OUKQBFOZSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543
N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78775982
(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78773460
(E)-N-[1-(1-adamantyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 6211917
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
N-(2-propan-2-ylpyrazol-3-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78772196
4-methyl-3-[[(E)-3-quinolin-2-ylprop-2-enoyl]amino]pentanoic acid
CID 139018264
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884420
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide (CID 78813722) is (E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide is CC(C)C(NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1.
What is the InChIKey of (E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is NEGQYNMSAVNQMK-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15(2)21(16-8-4-3-5-9-16)24-20(25)13-12-17-14-22-18-10-6-7-11-19(18)23-17/h3-15,21H,1-2H3,(H,24,25)/b13-12+.
What are the key properties of (E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 331.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 78813722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).